SCHEMBL4609728

SCHEMBL4609728

CCc1cccc(-c2ccccc2)c1C=NCC(C)CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
KMT2A Q03164 1/20 0.33
ANPEP P15144 1/20 0.32
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
CPA1 P15085 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
DPP4 P27487 1/20 0.31
CLPP Q16740 2/20 0.31
GRM2 Q14416 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
FOLH1 Q04609 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LARS1 Q9P2J5 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4611492 0.86 NPC1 (0.34) NPC1RAB9AANPEPSMN1; SMN2
SCHEMBL4612091 0.81 GABRA1 (0.38) NPC1RAB9AANPEPSMN1; SMN2
SCHEMBL4610957 0.80 NPC1 (0.32) NPC1RAB9AANPEPSMN1; SMN2
SCHEMBL952735 0.80 PDCD1 (0.38) NPC1RAB9APDCD1CD274KMT2A
SCHEMBL952736 0.80 PDCD1 (0.38) NPC1RAB9APDCD1CD274KMT2A
SCHEMBL4610942 0.78 CNR2 (0.36) NPC1RAB9APPARGPPARASMN1; SMN2
SCHEMBL4610430 0.78 KDM4E (0.42) ANPEPALDH1A1
SCHEMBL4609937 0.78 TSHR (0.34) NPC1RAB9ASMN1; SMN2
SCHEMBL7170211 0.71 PDCD1 (0.46) RAB9APDCD1CD274KMT2ADPP4
SCHEMBL1024640 0.71 PDCD1 (0.46) PDCD1CD274KMT2ADPP4PPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed